General Information of the Compound
| Compound ID |
CP0106220
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| Compound Name |
3,6-Bis[3-(heptamethyleneimino)piperizinopropionamido)acridine
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| Structure |
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| Formula |
C33H45N5O2
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| Molecular Weight |
543.756
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| Canonical SMILES |
O=C(CCN1CCCCCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCCCCC4)cc3nc2c1
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| InChI |
InChI=1S/C33H45N5O2/c39-32(15-21-37-17-7-3-1-4-8-18-37)34-28-13-11-26-23-27-12-14-29(25-31(27)36-30(26)24-28)35-33(40)16-22-38-19-9-5-2-6-10-20-38/h11-14,23-25H,1-10,15-22H2,(H,34,39)(H,35,40)
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| InChIKey |
KGEMXWJLGMFZFH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound